[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate

C19H19ClFNO3 — CID 7984660

IUPAC[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
SMILESC[C@H](OC(=O)C(C)(C)c1ccccc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C19H19ClFNO3/c1-12(17(23)22-16-10-9-14(21)11-15(16)20)25-18(24)19(2,3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,23)/t12-/m0/s1
InChIKeyKUXRGQGKIZBVRF-LBPRGKRZSA-N
MW363.82 g/mol
LogP4.33
Rot. Bonds5

About [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate

[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate (PubChem CID 7984660) has the molecular formula C19H19ClFNO3 and a molecular weight of 363.82 g/mol. Its IUPAC name is [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
PubChem CID7984660
Molecular FormulaC19H19ClFNO3
Molecular Weight363.82 g/mol
Exact Mass363.10
IUPAC Name[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
SMILESC[C@H](OC(=O)C(C)(C)c1ccccc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C19H19ClFNO3/c1-12(17(23)22-16-10-9-14(21)11-15(16)20)25-18(24)19(2,3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,23)/t12-/m0/s1
InChIKeyKUXRGQGKIZBVRF-LBPRGKRZSA-N
XLogP4.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954453
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7931119
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954536
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767433
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 7852975
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 2488888
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 2488890
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 7767167
[(2R)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954529
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] propanoate
CID 7851242
(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7703445
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7859879

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate (CID 7984660) is [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate is C[C@H](OC(=O)C(C)(C)c1ccccc1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate?
The InChIKey is KUXRGQGKIZBVRF-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClFNO3/c1-12(17(23)22-16-10-9-14(21)11-15(16)20)25-18(24)19(2,3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,23)/t12-/m0/s1.
What are the key properties of [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate?
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate has a molecular weight of 363.82 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 7984660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).